Adding a 385th atom with special attributes.

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1

Hi Lammps group,

Please find attached my LAMMPS input script with a fix deposit command in the end of the file. With an objective to add a 385th atom to the crystal, I use the fix deposit command with the following syntax:

fix 1 all deposit 1 1 500000 29494 region myreg local 13.02094 18.38892 13.9674 vx 0 0 vy 0 0 vz -11.7 0 units box

13.02094, 18.38892 and 13.9674 are the coordinates of the 385th atom to be added with a 0 lo and hi velocity value in the x and y directions and a lo -11.7 value so that the additional atom doesn’t fly away.

After running 500000 iterations too the values of x, y and z coordinates of the 385th atom decrease as seen in the .xyz file. These values have to be distinctly different compared to the other 384 atoms because of their attributes. Could anybody please tell me if I am using the correct syntax for adding the 385th atom. I tried using the create_atoms with the specific x, y, z coordinates but it’s useless.

Regards,
Saketh.

385thAtomCoordinates.xyz (9.4 KB)

NEWTADSI.txt (2.72 KB)

2

Hi Lammps group,

Please find attached my LAMMPS input script with a fix deposit command in
the end of the file. With an objective to add a 385th atom to the crystal, I
use the fix deposit command with the following syntax:

fix 1 all deposit 1 1 500000 29494 region myreg local 13.02094 18.38892
13.9674 vx 0 0 vy 0 0 vz -11.7 0 units box

13.02094, 18.38892 and 13.9674 are the coordinates of the 385th atom to be
added with a 0 lo and hi velocity value in the x and y directions and a lo
-11.7 value so that the additional atom doesn’t fly away.

After running 500000 iterations too the values of x, y and z coordinates of
the 385th atom decrease as seen in the .xyz file. These values have to be
distinctly different compared to the other 384 atoms because of their
attributes. Could anybody please tell me if I am using the correct syntax
for adding the 385th atom. I tried using the create_atoms with the specific
x, y, z coordinates but it’s useless.

please explain, _why_ it is useless.

that seems to be the right tool for the job.

axel.